SCHEMBL3147216

SCHEMBL3147216

C=C(C)CCOC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PRKCA P17252 2/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29828289 0.85 EPHX1 (0.38) EPHX1TSHRTDP1POLBAPEX1
SCHEMBL3505384 0.81 PTPN1 (0.39) TSHRTDP1ALDH1A1MMP1MMP2
SCHEMBL29171114 0.81 EPHX1 (0.38) EPHX1TDP1POLBAPEX1CTDSP1
SCHEMBL18378814 0.80 MMP1 (0.46) TDP1ALDH1A1MMP1MMP2MMP3
SCHEMBL22608033 0.79 DGKA (0.40) EPHX1TSHRTDP1ADRA2AADRA1A
SCHEMBL13576870 0.79 MMP1 (0.44) TSHRTDP1ALDH1A1MMP1MMP2
SCHEMBL13370394 0.79 EPHX1 (0.49) EPHX1TSHRTDP1ALDH1A1POLB
Ammonia Solution, Strong SCHEMBL28236453 0.77 TSHR (0.55) TSHRTDP1ALDH1A1MMP1MMP2
SCHEMBL2608293 0.77 EPHX1 (0.43) EPHX1TSHRTDP1POLBAPEX1
SCHEMBL9395995 0.77 NAAA (0.48) EPHX1TSHRTDP1ALDH1A1BTN3A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504969-B1 COMPOSITION FOR CONTROLLING FUNGAL INFECTION CAUSED BYNOSEMA CERANAE UNIV CHILE (CL) 2023-01-25 EP disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
US-8372443-B2 Methods and compositions for the treatment and prevention of citrus greening disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-12 US disclosed
US-20100074972-A1 Methods and Compositions for the Treatment and Prevention of Citrus Greening Disease UNIVERSITY OF FLORIDA RESEACH FOUNDATION, INC. 2010-03-25 US disclosed
WO-2010027783-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF CITRUS GREENING DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-11 WO disclosed